(6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

C23H29N3O2 — CID 177094384

IUPAC(6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILES[2H]c1cc2c3c(c([2H])n(C(=O)CC)c3c1[2H])C[C@@H]1C2=C[C@@H](C(=O)N(CC([2H])([2H])[2H])CC([2H])([2H])[2H])CN1C([2H])([2H])[2H]
InChIInChI=1S/C23H29N3O2/c1-5-21(27)26-14-15-12-20-18(17-9-8-10-19(26)22(15)17)11-16(13-24(20)4)23(28)25(6-2)7-3/h8-11,14,16,20H,5-7,12-13H2,1-4H3/t16-,20-/m1/s1/i2D3,3D3,4D3,8D,10D,14D
InChIKeyJSMQOVGXBIDBIE-BZSDDXGCSA-N
MW391.58 g/mol
LogP3.43
Rot. Bonds7

About (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide

(6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 177094384) has the molecular formula C23H29N3O2 and a molecular weight of 391.58 g/mol. Its IUPAC name is (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
PubChem CID177094384
Molecular FormulaC23H29N3O2
Molecular Weight391.58 g/mol
Exact Mass391.30
IUPAC Name(6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
SMILES[2H]c1cc2c3c(c([2H])n(C(=O)CC)c3c1[2H])C[C@@H]1C2=C[C@@H](C(=O)N(CC([2H])([2H])[2H])CC([2H])([2H])[2H])CN1C([2H])([2H])[2H]
InChIInChI=1S/C23H29N3O2/c1-5-21(27)26-14-15-12-20-18(17-9-8-10-19(26)22(15)17)11-16(13-24(20)4)23(28)25(6-2)7-3/h8-11,14,16,20H,5-7,12-13H2,1-4H3/t16-,20-/m1/s1/i2D3,3D3,4D3,8D,10D,14D
InChIKeyJSMQOVGXBIDBIE-BZSDDXGCSA-N
XLogP3.43
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CID 177094384) is (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is [2H]c1cc2c3c(c([2H])n(C(=O)CC)c3c1[2H])C[C@@H]1C2=C[C@@H](C(=O)N(CC([2H])([2H])[2H])CC([2H])([2H])[2H])CN1C([2H])([2H])[2H].
What is the InChIKey of (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is JSMQOVGXBIDBIE-BZSDDXGCSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-21(27)26-14-15-12-20-18(17-9-8-10-19(26)22(15)17)11-16(13-24(20)4)23(28)25(6-2)7-3/h8-11,14,16,20H,5-7,12-13H2,1-4H3/t16-,20-/m1/s1/i2D3,3D3,4D3,8D,10D,14D.
What are the key properties of (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide?
(6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 391.58 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-2,3,5-trideuterio-4-propanoyl-N,N-bis(2,2,2-trideuterioethyl)-7-(trideuteriomethyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 177094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).